[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-2-(p-tolylsulfonylamino)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl] ester IUPAC Name: [4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-methyl-2-(tosylamino)pentyl] ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H27NO5S2/c1-15(2)13-18(21-27(22,23)19-9-5-16(3)6-10-19)14-26-28(24,25)20-11-7-17(4)8-12-20/h5-12,15,18,21H,13-14H2,1-4H3